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	hartrees
Energy at 0K	-312.100588
Energy at 298.15K
HF Energy	-311.550118
Nuclear repulsion energy	69.016550

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	1116	1075
2	A₁	411	397
3	B₂	369	355

Atom	y (Å)	z (Å)
Na1	0.000	1.188
O2	0.677	-0.817
O3	-0.677	-0.817

	Na1	O2	O3
Na1		2.1168	2.1168
O2	2.1168		1.3544
O3	2.1168	1.3544

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Na1	O2	O3	71.342		Na1	O3	O2	71.342
O2	Na1	O3	37.315

All results from a given calculation for NaO₂ (Sodium superoxide)

using model chemistry: CCSD(T)=FULL/aug-cc-pVTZ

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for NaO2 (Sodium superoxide)

using model chemistry: CCSD(T)=FULL/aug-cc-pVTZ

States and conformations

All results from a given calculation for NaO₂ (Sodium superoxide)